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Compound Detail

CHEMBL247839

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CC(C(O)c1ccc(O)c(C(C)(C)C)c1)N1CCC(O)(c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247839
Phase Preclinical
Structure Type MOL
InChI Key YFUQTKXRMIUUCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

401.5
MW (Da)
4.23
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32FNO3
MW 401.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
17766106 10.1016/j.bmcl.2007.08.014 Glutamate receptor ionotropic, NMDA 2B 1
17766106 10.1016/j.bmcl.2007.08.014 Cytochrome P450 2D6 1
17766106 10.1016/j.bmcl.2007.08.014 ADMET 1

Data from ChEMBL 36 via Core Engine